ethyl 3-[(3-bromophenyl)methyl]-2-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[(3-bromophenyl)methyl]-2-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[(3-bromophenyl)methyl]-2-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0155 |
| Compound Name: | ethyl 3-[(3-bromophenyl)methyl]-2-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 567.48 |
| Molecular Formula: | C23 H23 Br N2 O6 S2 |
| Smiles: | CCOC(CC(CSC1=Nc2c(C(N1Cc1cccc(c1)[Br])=O)c(C)c(C(=O)OCC)s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4731 |
| logD: | 4.473 |
| logSw: | -4.5079 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 79.613 |
| InChI Key: | ZHCXUYFLDLPZDE-UHFFFAOYSA-N |